1-[4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)selanylcyclobuten-1-yl]selanyl-4-methoxybenzene

C30H24F2O2Se2 — CID 11181040

IUPAC1-[4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)selanylcyclobuten-1-yl]selanyl-4-methoxybenzene
SMILESCOc1ccc([Se]C2=C([Se]c3ccc(OC)cc3)C(c3ccc(F)cc3)(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C30H24F2O2Se2/c1-33-24-11-15-26(16-12-24)35-28-19-30(20-3-7-22(31)8-4-20,21-5-9-23(32)10-6-21)29(28)36-27-17-13-25(34-2)14-18-27/h3-18H,19H2,1-2H3
InChIKeyZHCPGFRQYXLFAH-UHFFFAOYSA-N
MW612.44 g/mol
LogP4.94
Rot. Bonds8

About 1-[4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)selanylcyclobuten-1-yl]selanyl-4-methoxybenzene

1-[4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)selanylcyclobuten-1-yl]selanyl-4-methoxybenzene (PubChem CID 11181040) has the molecular formula C30H24F2O2Se2 and a molecular weight of 612.44 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)selanylcyclobuten-1-yl]selanyl-4-methoxybenzene.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)selanylcyclobuten-1-yl]selanyl-4-methoxybenzene
PubChem CID11181040
Molecular FormulaC30H24F2O2Se2
Molecular Weight612.44 g/mol
Exact Mass614.01
IUPAC Name1-[4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)selanylcyclobuten-1-yl]selanyl-4-methoxybenzene
SMILESCOc1ccc([Se]C2=C([Se]c3ccc(OC)cc3)C(c3ccc(F)cc3)(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C30H24F2O2Se2/c1-33-24-11-15-26(16-12-24)35-28-19-30(20-3-7-22(31)8-4-20,21-5-9-23(32)10-6-21)29(28)36-27-17-13-25(34-2)14-18-27/h3-18H,19H2,1-2H3
InChIKeyZHCPGFRQYXLFAH-UHFFFAOYSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)selanylcyclobuten-1-yl]selanyl-4-methoxybenzene?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)selanylcyclobuten-1-yl]selanyl-4-methoxybenzene (CID 11181040) is 1-[4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)selanylcyclobuten-1-yl]selanyl-4-methoxybenzene.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)selanylcyclobuten-1-yl]selanyl-4-methoxybenzene?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)selanylcyclobuten-1-yl]selanyl-4-methoxybenzene is COc1ccc([Se]C2=C([Se]c3ccc(OC)cc3)C(c3ccc(F)cc3)(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)selanylcyclobuten-1-yl]selanyl-4-methoxybenzene?
The InChIKey is ZHCPGFRQYXLFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F2O2Se2/c1-33-24-11-15-26(16-12-24)35-28-19-30(20-3-7-22(31)8-4-20,21-5-9-23(32)10-6-21)29(28)36-27-17-13-25(34-2)14-18-27/h3-18H,19H2,1-2H3.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)selanylcyclobuten-1-yl]selanyl-4-methoxybenzene?
1-[4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)selanylcyclobuten-1-yl]selanyl-4-methoxybenzene has a molecular weight of 612.44 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)selanylcyclobuten-1-yl]selanyl-4-methoxybenzene is sourced from PubChem (CID 11181040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).